F820-0679 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

F820-0679 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
F820-0679 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F820-0679
N-{[4-(dimethylamino)phenyl]methyl}-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F820-0679

Molecular Formula

C21H23N5O5S (C21 H23 N5 O5 S)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-3-[(5-ethyl-124-oxadiazol-3-yl)methyl]-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CCc1nc(CN(c(ccc(S(NCc(cc2)ccc2N(C)C)(=O)=O)c2)c2O2)C2=O)no1

InChI

InChI=1S/C21H23N5O5S/c1-4-20-23-19(24-31-20)13-26-17-10-9-16(11-18(17)30-21(26)27)32(28,29)22-12-14-5-7-15(8-6-14)25(2)3/h5-11,22H,4,12-13H2,1-3H3

InChI Key

LLYXKJOIZQALBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27195689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.898

Distribution Coefficient, logD

2.887

Water Solubility, LogSw

-3.63

Polar Surface Area

100.235

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F820-0679 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F820-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F820-0679?
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What is the minimum amount of F820-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F820-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F820-0679
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F820-0679 available by request